Industrial slag chemistry: A case study of computational thermodynamics

Abstract

Thermodynamics has been used for evaluating phase ilibria in metals production processes at elevated temperatures already for more than half a century. The computational approach to phase ilibria of industrial systems is possible once assessed and internally consistent thermochemical databases are extensive enough to allow calculations in systems containing more than just 3 or 4 components. This paper describes the development of an oxide database Mtox developed at the National Physical laboratory under an industrially funded project coordinated by MIRO with up to 7 thermodynamic components and several subsets with additional components. The primary focus in the database development work has been metal smelting and refining processes, but also selected other high‐temperature production environments have been considered. Selected applications of the Mtox database will be reviewed, including the obtained practical benefits of computational thermodynamics (CT) to the industrial end users.